2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

C7H10ClF3N4OS — CID 119279554

IUPAC2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1nnc(C(F)(F)F)s1.Cl
InChIInChI=1S/C7H9F3N4OS.ClH/c1-6(2,11)3(15)12-5-14-13-4(16-5)7(8,9)10;/h11H2,1-2H3,(H,12,14,15);1H
InChIKeyYBJMYJKDVURAOC-UHFFFAOYSA-N
MW290.70 g/mol
LogP1.65
Rot. Bonds2

About 2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride

2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (PubChem CID 119279554) has the molecular formula C7H10ClF3N4OS and a molecular weight of 290.70 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
PubChem CID119279554
Molecular FormulaC7H10ClF3N4OS
Molecular Weight290.70 g/mol
Exact Mass290.02
IUPAC Name2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
SMILESCC(C)(N)C(=O)Nc1nnc(C(F)(F)F)s1.Cl
InChIInChI=1S/C7H9F3N4OS.ClH/c1-6(2,11)3(15)12-5-14-13-4(16-5)7(8,9)10;/h11H2,1-2H3,(H,12,14,15);1H
InChIKeyYBJMYJKDVURAOC-UHFFFAOYSA-N
XLogP1.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 784732
2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279568
2-amino-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119265894
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279556
ethyl 2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]acetate
CID 2780200
2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517
3-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butanamide
CID 114142994
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 71672993
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119705195
2,2-dimethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320669
5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide
CID 106238655
2-methyl-3-(methylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119705214

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride (CID 119279554) is 2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is CC(C)(N)C(=O)Nc1nnc(C(F)(F)F)s1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
The InChIKey is YBJMYJKDVURAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS.ClH/c1-6(2,11)3(15)12-5-14-13-4(16-5)7(8,9)10;/h11H2,1-2H3,(H,12,14,15);1H.
What are the key properties of 2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride?
2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride has a molecular weight of 290.70 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119279554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).